UCSF

ZINC20054212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 5.33 -79.38 3 4 2 40 253.39 7
Hi High (pH 8-9.5) 1.83 4.94 -37.94 2 4 1 39 252.382 7
Mid Mid (pH 6-8) 1.83 6.36 -104.87 3 4 2 43 253.39 7
Mid Mid (pH 6-8) 1.83 3.83 -40.8 2 4 1 42 252.382 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )